5-[1-[[6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyridazin-3-yl]methyl]triazol-4-yl]pyridin-2-amine

C15H11F2N9O — CID 162722833

About 5-[1-[[6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyridazin-3-yl]methyl]triazol-4-yl]pyridin-2-amine

5-[1-[[6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyridazin-3-yl]methyl]triazol-4-yl]pyridin-2-amine (PubChem CID 162722833) has the molecular formula C15H11F2N9O and a molecular weight of 371.31 g/mol. Its IUPAC name is 5-[1-[[6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyridazin-3-yl]methyl]triazol-4-yl]pyridin-2-amine.

Molecular Properties

• Compound Name: 5-[1-[[6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyridazin-3-yl]methyl]triazol-4-yl]pyridin-2-amine
• PubChem CID: 162722833
• Molecular Formula: C15H11F2N9O
• Molecular Weight: 371.31 g/mol
• Exact Mass: 371.11
• IUPAC Name: 5-[1-[[6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyridazin-3-yl]methyl]triazol-4-yl]pyridin-2-amine
• SMILES: Nc1ccc(-c2cn(Cc3ccc(-c4nnc(C(F)F)o4)nn3)nn2)cn1
• InChI: InChI=1S/C15H11F2N9O/c16-13(17)15-24-23-14(27-15)10-3-2-9(20-21-10)6-26-7-11(22-25-26)8-1-4-12(18)19-5-8/h1-5,7,13H,6H2,(H2,18,19)
• InChIKey: LPQHDXPBKNQUAZ-UHFFFAOYSA-N
• XLogP: 1.75
• TPSA: 134.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.31
LogP ≤ 5	1.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5-[1-[[6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyridazin-3-yl]methyl]triazol-4-yl]pyridin-2-amine?

The IUPAC name of 5-[1-[[6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyridazin-3-yl]methyl]triazol-4-yl]pyridin-2-amine (CID 162722833) is 5-[1-[[6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyridazin-3-yl]methyl]triazol-4-yl]pyridin-2-amine.

What is the SMILES notation for 5-[1-[[6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyridazin-3-yl]methyl]triazol-4-yl]pyridin-2-amine?

The canonical SMILES for 5-[1-[[6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyridazin-3-yl]methyl]triazol-4-yl]pyridin-2-amine is Nc1ccc(-c2cn(Cc3ccc(-c4nnc(C(F)F)o4)nn3)nn2)cn1.

What is the InChIKey of 5-[1-[[6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyridazin-3-yl]methyl]triazol-4-yl]pyridin-2-amine?

The InChIKey is LPQHDXPBKNQUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N9O/c16-13(17)15-24-23-14(27-15)10-3-2-9(20-21-10)6-26-7-11(22-25-26)8-1-4-12(18)19-5-8/h1-5,7,13H,6H2,(H2,18,19).

What are the key properties of 5-[1-[[6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyridazin-3-yl]methyl]triazol-4-yl]pyridin-2-amine?

5-[1-[[6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyridazin-3-yl]methyl]triazol-4-yl]pyridin-2-amine has a molecular weight of 371.31 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-[[6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyridazin-3-yl]methyl]triazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 162722833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).